(3-chloro-4-methylphenyl)-hydroxy-oxophosphanium

C7H7ClO2P+ — CID 6330252

IUPAC(3-chloro-4-methylphenyl)-hydroxy-oxophosphanium
SMILESCc1ccc([P+](=O)O)cc1Cl
InChIInChI=1S/C7H6ClO2P/c1-5-2-3-6(11(9)10)4-7(5)8/h2-4H,1H3/p+1
InChIKeyXKQWGEKWXYYWHS-UHFFFAOYSA-O
MW189.56 g/mol
LogP2.01
Rot. Bonds1

About (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium

(3-chloro-4-methylphenyl)-hydroxy-oxophosphanium (PubChem CID 6330252) has the molecular formula C7H7ClO2P+ and a molecular weight of 189.56 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-hydroxy-oxophosphanium
PubChem CID6330252
Molecular FormulaC7H7ClO2P+
Molecular Weight189.56 g/mol
Exact Mass188.99
IUPAC Name(3-chloro-4-methylphenyl)-hydroxy-oxophosphanium
SMILESCc1ccc([P+](=O)O)cc1Cl
InChIInChI=1S/C7H6ClO2P/c1-5-2-3-6(11(9)10)4-7(5)8/h2-4H,1H3/p+1
InChIKeyXKQWGEKWXYYWHS-UHFFFAOYSA-O
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.56
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium?
The IUPAC name of (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium (CID 6330252) is (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium.
What is the SMILES notation for (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium?
The canonical SMILES for (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium is Cc1ccc([P+](=O)O)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium?
The InChIKey is XKQWGEKWXYYWHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6ClO2P/c1-5-2-3-6(11(9)10)4-7(5)8/h2-4H,1H3/p+1.
What are the key properties of (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium?
(3-chloro-4-methylphenyl)-hydroxy-oxophosphanium has a molecular weight of 189.56 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-hydroxy-oxophosphanium is sourced from PubChem (CID 6330252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).